3-(cyclopropylmethylamino)-2-methylbutanoic acid

C9H17NO2 — CID 79392139

IUPAC3-(cyclopropylmethylamino)-2-methylbutanoic acid
SMILESCC(NCC1CC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(9(11)12)7(2)10-5-8-3-4-8/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyWYPFIYZNLXWKMN-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About 3-(cyclopropylmethylamino)-2-methylbutanoic acid

3-(cyclopropylmethylamino)-2-methylbutanoic acid (PubChem CID 79392139) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-2-methylbutanoic acid
PubChem CID79392139
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(cyclopropylmethylamino)-2-methylbutanoic acid
SMILESCC(NCC1CC1)C(C)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(9(11)12)7(2)10-5-8-3-4-8/h6-8,10H,3-5H2,1-2H3,(H,11,12)
InChIKeyWYPFIYZNLXWKMN-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(4-methylcyclohexyl)methylamino]butanoic acid
CID 79398095
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
2-methyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]butanoic acid
CID 79413637
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
2-(cyclopropylmethylamino)-N-ethyl-N-methylpropanamide
CID 103106979
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-2-methylbutanoic acid?
The IUPAC name of 3-(cyclopropylmethylamino)-2-methylbutanoic acid (CID 79392139) is 3-(cyclopropylmethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 3-(cyclopropylmethylamino)-2-methylbutanoic acid?
The canonical SMILES for 3-(cyclopropylmethylamino)-2-methylbutanoic acid is CC(NCC1CC1)C(C)C(=O)O.
What is the InChIKey of 3-(cyclopropylmethylamino)-2-methylbutanoic acid?
The InChIKey is WYPFIYZNLXWKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(9(11)12)7(2)10-5-8-3-4-8/h6-8,10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-(cyclopropylmethylamino)-2-methylbutanoic acid?
3-(cyclopropylmethylamino)-2-methylbutanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 79392139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).